General Information of the Compound
| Compound ID |
CP0239611
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| Compound Name |
N-[3-[[[2-(4-fluorophenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]methyl]pyridin-2-yl]-N-methylmethanesulfonamide
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| Structure |
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| Formula |
C22H22FN5O2S
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| Molecular Weight |
439.516
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| Canonical SMILES |
CN(c1ncccc1CNc1c(C)cnc2[nH]c(cc12)-c1ccc(F)cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C22H22FN5O2S/c1-14-12-26-21-18(11-19(27-21)15-6-8-17(23)9-7-15)20(14)25-13-16-5-4-10-24-22(16)28(2)31(3,29)30/h4-12H,13H2,1-3H3,(H2,25,26,27)
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| InChIKey |
VVGHLWIQDHRRGH-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound